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Substance Name: Benzenesulfonic acid, 2,5-dihydroxy-4-((4-methylphenyl)sulfonyl)-, calcium salt (1:1)
RN: 51579-74-9
InChIKey: XEDBPPKBDVDVPA-UHFFFAOYSA-L

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C13-H11-O7-S2.Ca

Molecular Weight

  • 382.425
 
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Names and Synonyms

Synonyms

  • 2,5-Dihydroxy-4-sulfo-4'-methyldiphenylsulfone, sel de calcium
  • 2,5-Dihydroxy-4-sulfo-4'-methyldiphenylsulfone, sel de calcium [French]
  • Calcium 2,5-dihydroxy-4-((4-methylphenyl)sulfonyl)benzenesulfonate (1:1)

Systematic Name

  • Benzenesulfonic acid, 2,5-dihydroxy-4-((4-methylphenyl)sulfonyl)-, calcium salt (1:1)

Registry Numbers

CAS Registry Number

  • 51579-74-9

System Generated Number

  • 0051579749

Molecular Formulas

Molecular Formula

  • C13-H11-O7-S2.Ca

Molecular Formula Fragments

  • C13-H11-O7-S2
  • Ca
  • COMPONENT

Structure Descriptors

InChI

1S/C13H12O7S2.Ca/c1-8-2-4-9(5-3-8)21(16,17)12-6-11(15)13(7-10(12)14)22(18,19)20;/h2-7,14-15H,1H3,(H,18,19,20);/q;+2/p-2

InChIKey

XEDBPPKBDVDVPA-UHFFFAOYSA-L

Smiles

Cc1ccc(cc1)S(=O)(=O)c2cc(c(cc2O)S(=O)(=O)[O-])[O-].[Ca+2]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral > 5gm/kg (5000mg/kg)   French Demande Patent Document. Vol. #2249654,